CID 173227842

C20H33Cl2HfNSi-2 — CID 173227842

IUPAC—
SMILESCC(C)c1ccccc1[NH-].CC1=[C-]C(C)C(C)=C1C.C[Si]C.Cl.Cl.[Hf]
InChIInChI=1S/C9H12N.C9H13.C2H6Si.2ClH.Hf/c1-7(2)8-5-3-4-6-9(8)10;1-6-5-7(2)9(4)8(6)3;1-3-2;;;/h3-7,10H,1-2H3;6H,1-4H3;1-2H3;2*1H;/q2*-1;;;;
InChIKeyNJCVPRBNGRFVOY-UHFFFAOYSA-N
MW564.97 g/mol
LogP7.84
Rot. Bonds1

About CID 173227842

CID 173227842 (PubChem CID 173227842) has the molecular formula C20H33Cl2HfNSi-2 and a molecular weight of 564.97 g/mol.

Molecular Properties

Compound NameCID 173227842
PubChem CID173227842
Molecular FormulaC20H33Cl2HfNSi-2
Molecular Weight564.97 g/mol
Exact Mass565.12
IUPAC Name—
SMILESCC(C)c1ccccc1[NH-].CC1=[C-]C(C)C(C)=C1C.C[Si]C.Cl.Cl.[Hf]
InChIInChI=1S/C9H12N.C9H13.C2H6Si.2ClH.Hf/c1-7(2)8-5-3-4-6-9(8)10;1-6-5-7(2)9(4)8(6)3;1-3-2;;;/h3-7,10H,1-2H3;6H,1-4H3;1-2H3;2*1H;/q2*-1;;;;
InChIKeyNJCVPRBNGRFVOY-UHFFFAOYSA-N
XLogP7.84
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.97
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 173227842?
The IUPAC name of CID 173227842 (CID 173227842) is not available.
What is the SMILES notation for CID 173227842?
The canonical SMILES for CID 173227842 is CC(C)c1ccccc1[NH-].CC1=[C-]C(C)C(C)=C1C.C[Si]C.Cl.Cl.[Hf].
What is the InChIKey of CID 173227842?
The InChIKey is NJCVPRBNGRFVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N.C9H13.C2H6Si.2ClH.Hf/c1-7(2)8-5-3-4-6-9(8)10;1-6-5-7(2)9(4)8(6)3;1-3-2;;;/h3-7,10H,1-2H3;6H,1-4H3;1-2H3;2*1H;/q2*-1;;;;.
What are the key properties of CID 173227842?
CID 173227842 has a molecular weight of 564.97 g/mol, XLogP of 7.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173227842 is sourced from PubChem (CID 173227842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).